ethyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate

Systemtic Name: ethyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: ethyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[8-bromo-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(7-benzyl-8-bromo-2,6-diketo-3-methyl-purin-1-yl)acetic acid ethyl ester Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

InChI

InChI=1S/C17H17BrN4O4/c1-3-26-12(23)10-22-15(24)13-14(20(2)17(22)25)19-16(18)21(13)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3